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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204076

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1204076
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 3
  • Element list: ['U', 'C', 'O']
  • Chemical System: C-O-U
  • Density: 2.664675370502787
  • Atomic Density: 0.03849537894831034
  • Unit Cell Volume: 2597.7143940906512
  • Molar Volume: 15.643801735492014
  • Full Formula: U12 C24 O64
  • Reduced Formula: U3(C3O8)2
  • Formula Anonymous: A3B6C16
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -864.8254719399998
  • Final energy per atom: -8.648254719399999
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.